4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine

C16H20FN3O — CID 46981140

IUPAC4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1nccc1CN1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O/c1-19-13(6-9-18-19)12-20-10-7-14(8-11-20)21-16-5-3-2-4-15(16)17/h2-6,9,14H,7-8,10-12H2,1H3
InChIKeyHQZSTFJTNKFIBW-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.60
Rot. Bonds4

About 4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine

4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine (PubChem CID 46981140) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
PubChem CID46981140
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1nccc1CN1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O/c1-19-13(6-9-18-19)12-20-10-7-14(8-11-20)21-16-5-3-2-4-15(16)17/h2-6,9,14H,7-8,10-12H2,1H3
InChIKeyHQZSTFJTNKFIBW-UHFFFAOYSA-N
XLogP2.60
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981142
2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine
CID 110256586
3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65066006
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1H-indole
CID 126951673
3-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine
CID 46981016
4-(2-fluorophenoxy)-1-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]piperidine
CID 42512908
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine
CID 138808176
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952652
1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 46957140
methyl 4-[4-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 42381184
1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine
CID 138034260
3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 56892936

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
The IUPAC name of 4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine (CID 46981140) is 4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine is Cn1nccc1CN1CCC(Oc2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
The InChIKey is HQZSTFJTNKFIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-19-13(6-9-18-19)12-20-10-7-14(8-11-20)21-16-5-3-2-4-15(16)17/h2-6,9,14H,7-8,10-12H2,1H3.
What are the key properties of 4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine?
4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine has a molecular weight of 289.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 46981140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).